2-[(5-methoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-propyl-phenolate

Systemtic Name: 2-[(5-methoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-propyl-phenolate Openeye Name: 2-[(5-methoxy-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-propyl-phenolate CAS Name: 2-[(5-methoxy-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-4-propylphenolate IUPAC Name: 2-[(5-methoxy-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-propylphenolate Traditional Name: 2-[(6-keto-5-methoxy-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-propyl-phenolate Formula: C17H17N2O5- MolecularWeight: 329.32728

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)[O-])NC=C2C=C(C=C(C2=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=C(C=C1)[O-])NC=C2C=C(C=C(C2=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O5/c1-3-4-11-5-6-15(20)14(7-11)18-10-12-8-13(19(22)23)9-16(24-2)17(12)21/h5-10,18,20H,3-4H2,1-2H3/p-1